NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.3409 8.1733 120.0803 56.0218 34.0436 174.8588 3 L 4.4420 8.3852 123.6436 54.6411 42.5502 174.3257 4 A 4.4625 7.9404 122.1724 51.0424 24.1211 175.0170 5 V 4.3622 8.3347 118.8994 59.4454 34.2677 175.4964 6 V 4.0757 8.5071 126.0765 62.8361 32.3705 176.2244 7 T 4.6928 8.6154 116.0241 60.0762 69.5836 173.2554 8 G 3.9370 7.3797 109.8010 46.4348 0.0000 171.8466 9 Q 4.7562 8.2648 118.7126 54.5561 32.2886 173.8179 10 I 4.5882 8.5428 125.1689 59.4890 39.7190 175.1210 11 V 4.3835 8.3777 126.1071 61.7326 33.8735 175.8549 12 C 4.6323 8.3596 124.1529 59.0797 29.8391 173.7502 13 T 4.0422 8.2944 115.0734 64.4895 68.9307 177.6013 14 V 3.6583 7.7748 110.8769 62.6875 33.0439 175.7357 *21 H 4.7767 8.3155 118.4184 55.3703 29.1831 175.9048 22 D 4.4633 9.4938 127.6567 55.5994 41.4470 176.2639 23 K 4.5452 8.4874 122.6030 55.0927 35.2699 175.2204 24 L 5.0487 8.2735 120.5355 52.8051 44.1075 175.1821 25 L 4.7274 9.0693 124.5741 54.7840 44.8655 176.6022 *27 V 4.2376 8.2460 118.9689 62.6866 33.7149 174.0104 28 E 5.0848 8.0866 121.5346 53.8865 33.1182 174.0334 *30 I 3.9885 8.3179 117.7630 61.2755 38.2230 175.3061 31 D 4.6850 8.5813 124.8656 51.4729 40.6037 175.3477 32 P 4.4541 0.0000 0.0000 64.8428 31.3515 177.4292 33 Q 4.1058 8.0777 117.8886 57.8504 28.9989 176.3306 34 G 4.3150 7.6601 103.2748 45.3599 0.0000 173.1668 35 N 5.0818 8.6134 118.2320 50.1089 40.9566 172.5098 36 P 4.4378 0.0000 0.0000 62.7986 31.7594 176.3570 37 D 4.3570 8.4873 121.4518 54.4467 39.8093 177.1448 38 G 3.9383 8.2293 107.8869 45.1935 0.0000 173.4198 39 Q 4.1502 9.0851 120.6690 55.3646 29.1620 174.3885 40 C 4.9993 8.4598 123.0319 57.7359 33.3468 172.0267 41 A 4.6780 8.7126 127.1667 50.9597 22.4360 175.3037 42 V 4.4735 8.1952 118.3873 62.1856 33.4844 175.0840 43 A 4.8069 8.3555 125.8804 50.6557 23.1733 175.3819 44 I 4.3035 8.5279 123.4689 60.7755 39.2181 174.1612 45 D 5.1974 9.1626 128.5861 52.6010 43.7239 175.2757 46 N 5.0063 8.9936 121.6448 52.6767 38.5289 175.4191 47 I 3.8914 7.6959 120.9075 64.3218 37.7021 176.9979 48 G 4.2248 8.5625 107.9044 45.9520 0.0000 173.5221 49 A 4.3957 8.5592 121.8701 51.1268 19.6888 178.3254 50 G 4.0652 8.9939 111.8439 43.5578 0.0000 172.8697 51 T 3.8941 8.0906 113.7494 63.1445 67.7070 174.5231 52 G 4.0916 8.9733 116.5175 45.2425 0.0000 173.2641 53 E 4.6325 7.7233 120.1717 55.2167 31.1051 176.1629 54 W 4.7226 9.0242 124.1268 56.9504 30.5835 175.5874 55 V 5.0329 8.8851 116.2708 59.6115 36.2513 173.8868 56 L 4.8947 8.7340 124.0977 53.4790 43.8787 174.9673 57 L 5.3380 8.6800 126.5301 52.8286 44.2641 176.2176 58 V 4.4726 8.4789 122.2168 59.9853 34.1315 175.8112 59 S 4.8582 8.2415 119.9074 56.5995 64.9473 173.7358 60 G 3.7439 7.8517 106.5296 46.3580 0.0000 174.4800 61 S 4.3978 7.5250 114.5664 57.2552 63.6963 174.4513 62 S 4.1018 9.0053 124.9437 59.4221 61.2517 175.6074 63 A 4.2438 8.7046 115.5889 50.9065 19.7688 179.3809 *74 V 4.1028 7.4572 119.1415 64.2847 33.1165 175.7113 75 D 4.5417 7.1196 119.0844 54.8490 41.7407 174.5013 76 L 4.9261 7.6054 115.7700 53.4923 44.3522 174.7388 77 C 5.1755 8.5112 122.8886 57.6160 35.3504 173.1141 78 V 4.4364 8.4396 126.5330 62.9963 31.5534 175.5995 79 I 4.6659 8.6754 118.3054 60.2068 39.1673 175.1413 80 G 4.2129 7.8270 108.0316 45.6816 0.0000 172.3151 81 I 4.8164 8.3956 122.8488 59.4747 39.3512 175.1883 82 V 4.2012 8.6426 126.4604 62.3074 32.0050 175.2836 83 D 4.8399 8.8478 127.1761 56.2668 42.5759 175.9161 84 E 5.1737 7.8125 112.5992 55.6291 32.4942 175.1821 85 V 4.5721 8.7007 120.0685 61.3931 35.1851 173.9044 86 V 4.9737 8.6176 126.9473 60.4113 34.1075 173.4301 87 S 4.7270 8.7306 120.7030 58.6513 63.0294 178.4361 88 G 3.8774 8.9287 116.6127 47.4694 0.0000 173.0411 89 G 4.3311 8.0566 105.0128 46.4352 0.0000 170.8271 90 Q 4.4004 7.5438 118.7312 53.4868 31.7531 174.3214 91 V 4.1778 8.5209 125.5747 62.9155 31.7275 175.1808 92 I 4.3953 8.2512 121.0227 61.5452 39.1617 175.6772 93 F 4.6071 7.8135 124.3135 57.1306 42.8730 172.4893 94 H 4.5022 6.9858 124.2826 54.1365 32.7088 172.8434 95 K 3.7986 8.4885 127.5486 56.9614 31.5857 175.9742 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 K 8.17 4.34 0.00 1.69 1.73 0.00 1.59 0.00 0.00 1.79 0.00 0.00 2.85 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.46 7.81 3 L 8.39 4.44 0.00 1.46 1.30 1.02 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 4 A 7.94 4.46 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.33 4.36 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.99 0.00 0.00 6 V 8.51 4.08 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 1.02 0.00 0.00 7 T 8.62 4.69 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 8 G 7.38 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 Q 8.26 4.76 0.00 2.02 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.62 0.00 0.00 0.00 0.00 0.00 2.23 2.39 0.00 10 I 8.54 4.59 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.67 0.91 0.00 0.00 11 V 8.38 4.38 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.93 0.00 0.00 12 C 8.36 4.63 0.00 2.95 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 T 8.29 4.04 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 14 V 7.77 3.66 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.93 0.00 0.00 *21 H 8.32 4.78 0.00 3.19 2.78 0.00 5.71 0.00 0.00 0.00 0.00 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 D 9.49 4.46 0.00 2.56 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 K 8.49 4.55 0.00 1.74 1.73 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.59 7.81 24 L 8.27 5.05 0.00 1.57 1.54 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 25 L 9.07 4.73 0.00 1.52 1.37 0.96 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 *27 V 8.25 4.24 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.94 0.00 0.00 28 E 8.09 5.08 0.00 1.98 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 *30 I 8.32 3.99 1.42 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 -0.36 0.57 0.00 0.00 31 D 8.58 4.68 0.00 2.81 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.45 0.00 2.21 2.23 0.00 3.75 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 33 Q 8.08 4.11 0.00 2.36 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.36 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 34 G 7.66 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 N 8.61 5.08 0.00 2.99 2.72 0.00 0.00 6.71 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.44 0.00 2.09 1.92 0.00 3.78 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 37 D 8.49 4.36 0.00 2.75 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 8.23 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 Q 9.09 4.15 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.73 0.00 0.00 0.00 0.00 0.00 2.34 2.52 0.00 40 C 8.46 5.00 0.00 3.17 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.71 4.68 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 V 8.20 4.47 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.92 0.00 0.00 43 A 8.36 4.81 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.53 4.30 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.20 1.01 0.00 0.00 45 D 9.16 5.20 0.00 2.79 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 N 8.99 5.01 0.00 2.82 3.08 0.00 0.00 6.31 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 I 7.70 3.89 2.03 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.83 0.93 0.00 0.00 48 G 8.56 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 A 8.56 4.40 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 G 8.99 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 T 8.09 3.89 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 52 G 8.97 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 E 7.72 4.63 0.00 2.18 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.36 0.00 54 W 9.02 4.72 0.00 2.86 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 V 8.89 5.03 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.88 0.00 0.00 56 L 8.73 4.89 0.00 1.77 1.52 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 57 L 8.68 5.34 0.00 1.59 1.50 0.86 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 58 V 8.48 4.47 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.93 0.00 0.00 59 S 8.24 4.86 0.00 3.79 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 G 7.85 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 S 7.53 4.40 0.00 4.06 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 S 9.01 4.10 0.00 4.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 A 8.70 4.24 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *74 V 7.46 4.10 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.93 0.00 0.00 75 D 7.12 4.54 0.00 2.79 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.61 4.93 0.00 1.78 1.54 0.90 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 77 C 8.51 5.18 0.00 2.89 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 V 8.44 4.44 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.93 0.00 0.00 79 I 8.68 4.67 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.85 0.91 0.00 0.00 80 G 7.83 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 I 8.40 4.82 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.69 0.99 0.00 0.00 82 V 8.64 4.20 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 1.04 0.00 0.00 83 D 8.85 4.84 0.00 2.62 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 E 7.81 5.17 0.00 1.89 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.27 0.00 85 V 8.70 4.57 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.15 0.00 0.00 86 V 8.62 4.97 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.95 0.00 0.00 87 S 8.73 4.73 0.00 3.93 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 G 8.93 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 G 8.06 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 Q 7.54 4.40 0.00 2.22 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.95 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 91 V 8.52 4.18 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.92 0.00 0.00 92 I 8.25 4.40 1.98 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.93 1.04 0.00 0.00 93 F 7.81 4.61 0.00 2.46 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 H 6.99 4.50 0.00 2.91 2.77 0.00 5.82 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 K 8.49 3.80 0.00 1.71 1.57 0.00 1.81 0.00 0.00 1.85 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.45 7.81 * Residues marked with a * may have inaccurate shift predictions.